SCHEMBL3712822

SCHEMBL3712822

CCOC(=O)C1CCC(c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3712506 0.92 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3700498 0.91 SCN9A (0.40) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3710136 0.85 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL13283900 0.84 LPAR1 (0.64) LPAR1LPAR3LPAR2TP53ABCC3
SCHEMBL12468286 0.84 MAPT (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3708552 0.83 LPAR1 (0.41) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2332527 0.82 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2332531 0.81 LPAR1 (0.52) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2341944 0.81 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714441 0.81 LPAR1 (0.54) LPAR1LPAR3LPAR2SCN9ASCN5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed